SCHEMBL8320635

SCHEMBL8320635

COC(=O)c1ccc(CCCc2cc(NC(C)=O)ccc2OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
KDM4E B2RXH2 1/20 0.56
PTGER1 P34995 2/20 0.55
PTGER4 P35408 2/20 0.55
PTGER3 P43115 2/20 0.55
PTGER2 P43116 2/20 0.55
MTNR1B P49286 5/20 0.53
MTNR1A P48039 4/20 0.53
TNF P01375 1/20 0.52
NOD2 Q9HC29 1/20 0.52
NOD1 Q9Y239 1/20 0.52
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
CYP19A1 P11511 1/20 0.48
TSHR P16473 4/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8325723 0.89 PTGER1 (0.59) MEN1KMT2APTGER1PTGER4PTGER3
SCHEMBL8324167 0.88 PTGER1 (0.51) MEN1KMT2AKDM4EPTGER1PTGER4
SCHEMBL8326018 0.88 PTGER1 (0.51) MEN1KMT2AKDM4EPTGER1PTGER4
SCHEMBL8675775 0.87 PTGER1 (0.56) MEN1KMT2AKDM4EPTGER1PTGER4
SCHEMBL8325792 0.86 PTGER1 (0.60) PTGER1PTGER4PTGER3PTGER2MTNR1B
SCHEMBL8319855 0.85 PTGER1 (0.59) MEN1KMT2APTGER1PTGER4PTGER3
SCHEMBL8321834 0.85 PTGER1 (0.59) MEN1KMT2APTGER1PTGER4PTGER3
SCHEMBL8323803 0.84 PTGER1 (0.51) MEN1KMT2AKDM4EPTGER1PTGER4
SCHEMBL8319879 0.84 PTGER1 (0.58) MEN1KMT2APTGER1PTGER4PTGER3
SCHEMBL8318734 0.84 PTGER1 (0.58) PTGER1PTGER4PTGER3PTGER2MTNR1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed